Metadata-Version: 2.1
Name: genice2_cif
Version: 2.0
Summary: CIF reader plugin for GenIce.
Home-page: https://github.com/vitroid/genice-cif/
Author: Masakazu Matsumoto
Author-email: vitroid@gmail.com
License: MIT
Description: # [genice2_cif](https://github.com/vitroid/genice-cif/)
        
        A loader plugin for [GenIce2](https://github.com/vitroid/GenIce) to read CIF file or to obtain structures in Zeolite DB.
        
        version 2.0
        
        ## Requirements
        
        
        * cif2ice>=0.2.2
        * GenIce2
        * validators
        
        ## Installation from PyPI
        
        ```shell
        % pip install genice2_cif
        ```
        
        ## Manual Installation
        
        ### System-wide installation
        
        ```shell
        % make install
        ```
        
        ### Private installation
        
        Copy the files in genice2_cif/formats/ into your local formats/ folder.
        
        ## Usage
                
            * To convert a local cif file to Gromacs format,
        
                % genice2 cif[RHO.cif] > RHO.gro
        
            * Some zeolites share the network topology with low-density ices. If you want to retrieve a zeolite ITT structure from [IZA structure database](http://www.iza-structure.org/databases) to prepare a low-density ice, try the following command:
        
                % genice2 zeolite[ITT] > ITT.gro
        
        ## Test in place
        
        ```shell
        % make test
        ```
        
Keywords: genice,CIF
Platform: UNKNOWN
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Developers
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3.6
Description-Content-Type: text/markdown
